General Information of the Compound
| Compound ID |
CP0443931
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| Compound Name |
2-[4-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]ethanol
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| Structure |
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| Formula |
C22H25FN6O
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| Molecular Weight |
408.481
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| Canonical SMILES |
OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C22H25FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-4,13-15,19,30H,5-12H2
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| InChIKey |
RHSIRKLMZPOXPT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound